1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

C20H23FN2O2 — CID 109051094

IUPAC1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-2-3-12-22-19(24)16-5-4-6-17(14-16)20(25)23-13-11-15-7-9-18(21)10-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMCXRMDWIUDGPKE-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.33
Rot. Bonds8

About 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109051094) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109051094
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)NCCc2ccc(F)cc2)c1
InChIInChI=1S/C20H23FN2O2/c1-2-3-12-22-19(24)16-5-4-6-17(14-16)20(25)23-13-11-15-7-9-18(21)10-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMCXRMDWIUDGPKE-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-butyl-3-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051097
4-N-[2-(4-fluorophenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042913
5-[3,5-bis[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-1-N,3-N-bis[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 10605421
3-N-[2-(3-chlorophenyl)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109056265
3-fluoro-N-octadecylbenzamide
CID 91711883
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
1-N-butyl-3-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051077
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
1-N,3-N-bis[2-(4-chlorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 1242332
N-[3-(4-fluorophenyl)propyl]-3,4-dimethylbenzamide
CID 100670175

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (CID 109051094) is 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)NCCc2ccc(F)cc2)c1.
What is the InChIKey of 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is MCXRMDWIUDGPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-2-3-12-22-19(24)16-5-4-6-17(14-16)20(25)23-13-11-15-7-9-18(21)10-8-15/h4-10,14H,2-3,11-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).